Basic information
- CAS
69239-50-5- Standard SMILES
O=[As](O)(O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1- InChIKey
BWKQQQFECMKHNX-UHFFFAOYSA-N- Molecular formula
- C9H7AsCl2N4O3
- Average molar mass
- 365 g/mol
- Monoisotopic mass
- 363.911115
Names & identifiers
- Preferred name
- {4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]phenyl}arsonic acid
- IUPAC
- [4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
- English name
- [4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
- Molecular formula
- C9H7AsCl2N4O3
- Molecular weight
- 365
Names & synonyms
69239-50-5{4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl}arsonic acid[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]arsonic acidNSC13777ANTINEOPLASTIC-13777DTXSID30279702NSC-13777AKOS0302550954-(4,6-dichloro-1,3,5-triazin-2-ylamino) phenylarsonic acidN-(4,6-Dichloro-1,3,5-triazin-2-yl)arsanilic acid, 97%N-(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)ARSANILIC ACID4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]phenyl]arsonic Acid (>90%)
Show more names
Arsonic acid, [4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]- (9CI)
Database identifiers
- CAS
69239-50-5- PubChem CID
- 224914
- DTXSID
DTXSID30279702
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 200 oC · >200 oC (Dec.)
- Boiling point
- 704.9 · 704.9±70.0 °C(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly, Heated)
- form
- Solid
- pka
- 3.71 · 3.71±0.10(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
Uses[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]phenyl]arsonic Acid is an intermediate in the synthesis of Melarsoprol (M215100), a drug used for the treatment of Arican trypanosomes, a sleeping sickness in humans, a disease that is typically fatal without chemotherapy.
Suppliers3 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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